(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-morpholinosulfonylphenyl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[3-(4-morpholinylsulfonyl)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-morpholinosulfonylphenyl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H31N4O4S2+ MolecularWeight: 479.63594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H30N4O4S2/c1-18(25-9-7-24(8-10-25)17-20-5-3-15-31-20)22(27)23-19-4-2-6-21(16-19)32(28,29)26-11-13-30-14-12-26/h2-6,15-16,18H,7-14,17H2,1H3,(H,23,27)/p+1/t18-/m1/s1